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Isophthalic acid, 2-isopropylphenyl pentyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2-isopropylphenyl pentyl ester
SpectraBase Compound ID 9uIslkoLxIM
InChI InChI=1S/C22H26O4/c1-4-5-8-14-25-21(23)17-10-9-11-18(15-17)22(24)26-20-13-7-6-12-19(20)16(2)3/h6-7,9-13,15-16H,4-5,8,14H2,1-3H3
InChIKey OMRABKZJMBNSQS-UHFFFAOYSA-N
Mol Weight 354.45 g/mol
Molecular Formula C22H26O4
Exact Mass 354.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ix8OUCZiV9Q
Name Isophthalic acid, 2-isopropylphenyl pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.183109313 u
Formula C22H26O4
InChI InChI=1S/C22H26O4/c1-4-5-8-14-25-21(23)17-10-9-11-18(15-17)22(24)26-20-13-7-6-12-19(20)16(2)3/h6-7,9-13,15-16H,4-5,8,14H2,1-3H3
InChIKey OMRABKZJMBNSQS-UHFFFAOYSA-N
Molecular Weight 354.446 g/mol
SMILES C(C1=C(C=CC=C1)OC(C1=CC(=CC=C1)C(OCCCCC)=O)=O)(C)C